SCHEMBL6205803

SCHEMBL6205803

CCCCCS(=O)(=O)n1ccc2c(O)cccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.62
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TLR8 Q9NR97 1/20 0.36
CA9 Q16790 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1538024 0.77 HTR6 (0.53) HTR6ALDH1A1MEN1MAPTHTT
SCHEMBL27038476 0.76 HTR6 (0.64) HTR6HTR2C
SCHEMBL1538256 0.75 HTR6 (0.60) HTR6
Hydrochloric Acid SCHEMBL6528932 0.70 HTR6 (0.47) HTR6HTR2C
SCHEMBL4651322 0.70 HTR2C (0.65) HTR2CALDH1A1ATMTLR8
SCHEMBL5758119 0.69 HTR6 (1.00) HTR6ALDH1A1MEN1HTTKMT2A
SCHEMBL6570590 0.69 HTR6 (0.76) HTR6MEN1HTTKMT2A
Chlorobenzene SCHEMBL28743159 0.68 HTR6 (0.53) HTR6HTR2C
Fluorobenzene SCHEMBL28743141 0.68 HTR6 (0.53) HTR6HTR2C
SCHEMBL24438167 0.68 HTR6 (0.60) HTR6ALDH1A1MAPTHTTCA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513809-A1 1-SULFONYL-4-AMINOALKOXY INDOLE DERIVATIVES AS 5-HT6-RECEPTOR MODULATORS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-16 EP disclosed
US-6774241-B2 HT3 RECEPTOR ANTAGONISTS FOR NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, AND SLEEP DISORDER TREATMENT ROCHE PALO ALTO LLC 2004-08-10 US disclosed
WO-2003104193-A1 1-SULFONYL-4-AMINOALKOXY INDOLE DERIVATIVES AS 5-HT6-RECEPTOR MODULATORS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-18 WO disclosed
US-20030229069-A1 1-Sulfonyl-4-aminoalkoxy indole derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030229069-A1 1-Sulfonyl-4-aminoalkoxy indole derivatives and uses thereof IDO1, TPH1, SLC6A4 HTR6 19/4885HTR2C 36/4885ALDH1A1 78/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.